7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide

C19H18FN3OS — CID 155553540

IUPAC7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCCC3)cc2n1
InChIInChI=1S/C19H18FN3OS/c20-13-5-3-12(4-6-13)15-10-17(19(21)24)22-16-9-14(25-18(15)16)11-23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H2,21,24)
InChIKeyQKSTXCOSRYSBHV-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.80
Rot. Bonds4

About 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide

7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155553540) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155553540
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCCC3)cc2n1
InChIInChI=1S/C19H18FN3OS/c20-13-5-3-12(4-6-13)15-10-17(19(21)24)22-16-9-14(25-18(15)16)11-23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H2,21,24)
InChIKeyQKSTXCOSRYSBHV-UHFFFAOYSA-N
XLogP3.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide (CID 155553540) is 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2sc(CN3CCCC3)cc2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is QKSTXCOSRYSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-13-5-3-12(4-6-13)15-10-17(19(21)24)22-16-9-14(25-18(15)16)11-23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11H2,(H2,21,24).
What are the key properties of 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide?
7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155553540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).